Information card for entry 7216796

Structure parameters

• Formula: C12 H32 N24 Ni3 O22 V6
• Calculated formula: C12 H32 N24 Ni3 O22 V6
• Title of publication: Substituent position-induced diverse architectures of polyoxovanadate-based hybrid materials constructed from a linear trinuclear transition metal complex and a hexanuclear [V6O18]6−cluster
• Authors of publication: Wang, Xiu-Li; Gong, Chun-Hua; Zhang, Ju-Wen; Hou, Li-Li; Luan, Jian; Liu, Guo-Cheng
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 33
• Pages of publication: 7745
• a: 9.7732 ± 0.0006 Å
• b: 10.5394 ± 0.0006 Å
• c: 11.4624 ± 0.0007 Å
• α: 105.693 ± 0.001°
• β: 91.6 ± 0.001°
• γ: 114.386 ± 0.001°
• Cell volume: 1022.05 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No